Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1G77935P78
EPA CompTox DTXSID5061952

Structure

InChI Key QUAMMXIRDIIGDJ-UHFFFAOYSA-N
Smiles Cc1c(scn1)C=C
InChI
InChI=1S/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H7N1S1
Molecular Weight 125.03
AlogP 2.09
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 12.89
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1759-28-0
NORMAN SUSDAT
FDA SRS 1G77935P78
PubChem 15654
ChemSpider 14889.0